4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid

C13H18N4O3 — CID 151445252

IUPAC4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid
SMILESCc1ncc2n1CCN(C1CCN(C(=O)O)CC1)C2=O
InChIInChI=1S/C13H18N4O3/c1-9-14-8-11-12(18)17(7-6-16(9)11)10-2-4-15(5-3-10)13(19)20/h8,10H,2-7H2,1H3,(H,19,20)
InChIKeyPFIVIVCVADWZFD-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.79
Rot. Bonds1

About 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid

4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid (PubChem CID 151445252) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid
PubChem CID151445252
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid
SMILESCc1ncc2n1CCN(C1CCN(C(=O)O)CC1)C2=O
InChIInChI=1S/C13H18N4O3/c1-9-14-8-11-12(18)17(7-6-16(9)11)10-2-4-15(5-3-10)13(19)20/h8,10H,2-7H2,1H3,(H,19,20)
InChIKeyPFIVIVCVADWZFD-UHFFFAOYSA-N
XLogP0.79
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid (CID 151445252) is 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid is Cc1ncc2n1CCN(C1CCN(C(=O)O)CC1)C2=O.
What is the InChIKey of 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid?
The InChIKey is PFIVIVCVADWZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-14-8-11-12(18)17(7-6-16(9)11)10-2-4-15(5-3-10)13(19)20/h8,10H,2-7H2,1H3,(H,19,20).
What are the key properties of 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid?
4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 151445252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).